12-carboxymethyl-6-cyano-5-hydroxyindolo[2,3-a]carbazole | 658079-68-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 12-carboxymethyl-6-cyano-5-hydroxyindolo[2,3-a]carbazole
• 英文别名: 2-(6-cyano-5-hydroxy-11H-indolo[2,3-a]carbazol-12-yl)acetic acid
• CAS: 658079-68-6
• 化学式: C₂₁H₁₃N₃O₃
• 分子量: 355.353
• InChiKey: LUZMEQYYSLUCMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  102
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  sodium cyanide 、 (6RS,6aRS)-6-chloro-6a-hydroxy-12-methoxycarbonylmethyl-5,6,6a,12-tetrahydroindolo[2,3-a]carbazole-5-one 以 水 、 N,N-二甲基甲酰胺 为溶剂， 以17%的产率得到6-cyano-5-hydroxy-12-methoxycarbonylmethylindolo[2,3-a]carbazole
  参考文献：
  名称：

  Synthetic Study Directed toward Derivatives of Biologically Active Indolo[2,3-a]carbazole

  摘要：

  Various derivatives of (6R*,6aR*)-6-chloro-6a-hydroxy-5,6,6a,12-tetrahydroindolo[2,3-a]carbazole-5-one (8) and 6-cyano-5-hydroxyindolo[2,3-a]carbazole (9) are prepared. Preparations of (6R*,6aR*,11aR*)-6-chloro-11a-cyano-6a-hydroxy- (11) and 12-substituted 6-(Z)-aminomethylidene-5,6,6a,11,11a,12-hexahydroindolo[2,3-a]carbazole-5-ones (15) are also reported.

  DOI：

  10.3987/com-09-s(s)79

文献信息

• Synthetic Study Directed toward Derivatives of Biologically Active Indolo[2,3-a]carbazole
  作者：Masanori Somei、Masako Sato、Yoshiaki Suzuki、Fumio Yamada

  DOI：10.3987/com-09-s(s)79

  日期：——

  Various derivatives of (6R*,6aR*)-6-chloro-6a-hydroxy-5,6,6a,12-tetrahydroindolo[2,3-a]carbazole-5-one (8) and 6-cyano-5-hydroxyindolo[2,3-a]carbazole (9) are prepared. Preparations of (6R*,6aR*,11aR*)-6-chloro-11a-cyano-6a-hydroxy- (11) and 12-substituted 6-(Z)-aminomethylidene-5,6,6a,11,11a,12-hexahydroindolo[2,3-a]carbazole-5-ones (15) are also reported.